UCSF

ZINC43263079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 6.14 -42.96 3 2 1 31 348.374 6
Hi High (pH 8-9.5) 4.53 5.81 -1.09 2 2 0 29 347.366 6
Mid Mid (pH 6-8) 4.53 7.91 -32.79 3 2 1 30 348.374 6
Mid Mid (pH 6-8) 4.53 8.17 -110.13 4 2 2 32 349.382 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )